2-Amino-7-Propyl-3H-Purine-1,9-Diium-5-Id-6-One

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Formula C8H18N5O+
IUPAC Name (2r,4s,5s)-2-amino-7-propyl-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one
Molecular Mass 200.261 g·mol−1
Heat of Formation 37.1 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 226.25 Å 3
Surface Area 217.5 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey MSEGQNUOQAIRLA-UHFFFAOYSA-O
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